N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide

C26H26N10O3 — CID 122648323

About N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide (PubChem CID 122648323) has the molecular formula C26H26N10O3 and a molecular weight of 526.56 g/mol. Its IUPAC name is N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide
• PubChem CID: 122648323
• Molecular Formula: C26H26N10O3
• Molecular Weight: 526.56 g/mol
• Exact Mass: 526.22
• IUPAC Name: N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide
• SMILES: CN(Cc1nc2c(N3CCOCC3)nc(-c3cnc4ccccc4c3)nc2n1C)c1ncc(C(=O)NO)cn1
• InChI: InChI=1S/C26H26N10O3/c1-34(26-28-13-18(14-29-26)25(37)33-38)15-20-30-21-23(35(20)2)31-22(32-24(21)36-7-9-39-10-8-36)17-11-16-5-3-4-6-19(16)27-12-17/h3-6,11-14,38H,7-10,15H2,1-2H3,(H,33,37)
• InChIKey: FRPKYYIEENVXNJ-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 147.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.56
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide?

The IUPAC name of N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide (CID 122648323) is N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide.

What is the SMILES notation for N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide?

The canonical SMILES for N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide is CN(Cc1nc2c(N3CCOCC3)nc(-c3cnc4ccccc4c3)nc2n1C)c1ncc(C(=O)NO)cn1.

What is the InChIKey of N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide?

The InChIKey is FRPKYYIEENVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N10O3/c1-34(26-28-13-18(14-29-26)25(37)33-38)15-20-30-21-23(35(20)2)31-22(32-24(21)36-7-9-39-10-8-36)17-11-16-5-3-4-6-19(16)27-12-17/h3-6,11-14,38H,7-10,15H2,1-2H3,(H,33,37).

What are the key properties of N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide?

N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide has a molecular weight of 526.56 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 122648323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).